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CAS 5813-90-1 XANTHENE-9-CARBOXAMIDE molecular structure lightbox
CAS RN: 5813-90-1

XANTHENE-9-CARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS5813-90-1
  • Purity/Analytical Methods: >99.0%
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5813-90-1 / 9H-xanthene-9-carboxamide

Standard CAS: 5813-90-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5813-90-1
Multi CAS
Yes
Molecular Formula
C14H11NO2
Molecular Weight
225.240000
Exact Mass
225.078979
InChI
InChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16)
InChIKey
WEDLKOCAEPRSPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64
TPSA
52.32

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
1.6
Consensus LogP
2.04
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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